Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKSYLITGGAGFIGLTFTKLMLRE-TDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDL--KADDPA--------FTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLG-CEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVT-FEEGIARTIQWYTDNDR 1OC2 Chain:B ((5-325)) --KNIIVTGGAGFIGSNFVHYVYNNHPDVHVTVLDKLTYAGNKANLEAI-LGDRVELVVGDIADAELVDKLAAKA-DAIVHYAAESHNDNSLNDPSPFIHTNFIGTYTLLEAARKYDIR-FHHVSTDEVYGDLPLREDLPGHGEGPGEKFTAETNYNPSSPYSSTKAASDLIVKAWVRSFGVKATISNCSNNYGPYQHIEKFIPRQITNILAGIKPKLYGEGKNVRDWIHTNDHSTGVWAILTKGRMGETYLIGADGEKNNKEVLELILEKMGQPKDAYDHVTDRAGHDLRYAIDASKLRDELGWTPQFTDFSEGLEETIQWYTDN--

General information: TITO was launched using: RESULT: Template: 1OC2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1801 31103 17.27 100.98 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : 17.27 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_1OC2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1OC2-query.scw PDB file : Tito_Scwrl_1OC2.pdb: